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CHEBI:227151 - (1S,3S)-austrocortilutein 8-O-beta-D-gentiobioside

ChEBI IDCHEBI:227151
ChEBI Name(1S,3S)-austrocortilutein 8-O-beta-D-gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O16
Net Charge0
Average Mass628.580
Monoisotopic Mass628.20034
SMILESCOc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)C1=C(C2=O)[C@@H](O)C[C@@](C)(O)C1
InChIInChI=1S/C28H36O16/c1-28(39)5-11-16(12(30)6-28)21(34)17-10(18(11)31)3-9(40-2)4-13(17)42-27-25(38)23(36)20(33)15(44-27)8-41-26-24(37)22(35)19(32)14(7-29)43-26/h3-4,12,14-15,19-20,22-27,29-30,32-33,35-39H,5-8H2,1-2H3/t12-,14+,15+,19+,20+,22-,23-,24+,25+,26+,27+,28-/m0/s1
InChIKeyZHQBWGJFLQHALO-RHRFXCQBSA-N
Species of MetaboliteComponentSourceComments
Cortinarius persplendidus (ncbitaxon:742022) - DOI (10.1071/ch99176)
ChEBI Ontology
Outgoing Relation(s)
(1S,3S)-austrocortilutein 8-O-beta-D-gentiobioside (CHEBI:227151) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,3S)-1,3-dihydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,4-dihydro-1H-anthracene-9,10-dione
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78440329ChemSpider